#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cfp n SER 1 N 0.00 0.42 -0.25 6.12 7.64 -1.26 -4.05 113.62 122.25 1cfp n SER 1 Ca 0.00 -1.19 0.31 0.00 1.01 0.00 0.00 58.87 59.00 1cfp n SER 1 Cb 0.00 -0.00 0.58 0.00 -1.01 0.00 0.00 64.21 63.77 1cfp n SER 1 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1cfp h GLU 2 N 0.65 0.00 0.06 1.43 5.08 -2.04 0.23 114.58 119.99 1cfp h GLU 2 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1cfp h GLU 2 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1cfp h GLU 2 CO 0.00 0.00 -0.03 -0.07 -1.00 0.00 0.00 179.01 177.91 1cfp h LEU 3 N 0.00 -0.07 -1.15 1.33 4.07 -1.98 0.51 115.31 118.03 1cfp h LEU 3 Ca 0.52 0.00 0.13 0.00 0.08 0.00 0.00 57.88 58.61 1cfp h LEU 3 Cb 2.70 0.02 -0.08 0.00 1.08 0.00 0.00 40.66 44.38 1cfp h LEU 3 CO -0.01 0.39 0.60 -0.08 -1.08 0.00 0.00 178.44 178.27 1cfp h GLU 4 N -0.96 0.81 -0.25 1.13 4.81 -1.32 2.29 114.58 121.08 1cfp h GLU 4 Ca -0.01 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.11 1cfp h GLU 4 Cb 0.06 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 1cfp h GLU 4 CO 0.01 0.53 -0.09 0.87 -0.73 0.00 0.00 179.01 179.61 1cfp h LYS 5 N 0.83 0.51 -0.16 1.92 1.79 -0.74 0.36 116.57 121.09 1cfp h LYS 5 Ca 0.48 -0.21 -0.07 0.00 -2.18 0.00 0.00 60.65 58.67 1cfp h LYS 5 Cb 0.62 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.24 1cfp h LYS 5 CO -0.24 0.75 -0.21 0.00 -1.08 0.00 0.00 179.45 178.67 1cfp h ALA 6 N 0.75 1.36 -0.06 3.86 0.00 0.15 -2.48 119.26 122.83 1cfp h ALA 6 Ca 0.06 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1cfp h ALA 6 Cb 0.58 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1cfp h ALA 6 CO 0.03 0.44 0.01 0.28 0.00 0.00 0.00 179.25 180.01 1cfp h VAL 7 N 0.25 1.19 -0.92 0.00 2.07 0.44 -2.27 116.25 117.00 1cfp h VAL 7 Ca 0.04 -0.57 0.19 0.00 0.82 0.00 0.00 66.70 67.18 1cfp h VAL 7 Cb 0.51 1.46 -0.11 0.00 -1.52 0.00 0.00 31.29 31.64 1cfp h VAL 7 CO 0.03 0.16 0.49 0.58 0.02 0.00 0.00 177.57 178.85 1cfp h VAL 8 N -0.12 0.62 -0.73 2.57 2.07 0.13 0.17 116.25 120.97 1cfp h VAL 8 Ca 0.02 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 1cfp h VAL 8 Cb 0.24 -0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 29.96 1cfp h VAL 8 CO 0.00 0.11 0.34 0.00 0.02 0.00 0.00 177.57 178.04 1cfp h ALA 9 N 1.65 0.94 -0.36 1.67 0.00 -1.10 -2.35 119.26 119.71 1cfp h ALA 9 Ca 0.54 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.28 1cfp h ALA 9 Cb 0.91 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1cfp h ALA 9 CO -0.43 0.51 0.15 -0.07 0.00 0.00 0.00 179.25 179.41 1cfp h LEU 10 N 1.02 0.45 -1.71 0.00 3.38 -0.13 0.12 115.31 118.43 1cfp h LEU 10 Ca 0.25 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.14 1cfp h LEU 10 Cb 0.13 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1cfp h LEU 10 CO -0.03 0.41 -0.18 0.16 0.09 0.00 0.00 178.44 178.89 1cfp h ILE 11 N 0.50 0.86 -0.00 1.22 -0.00 -0.85 0.18 117.51 119.42 1cfp h ILE 11 Ca 0.13 -0.68 -0.14 0.00 -0.00 0.00 0.00 64.86 64.16 1cfp h ILE 11 Cb 0.10 1.40 -0.02 0.00 -0.00 0.00 0.00 36.82 38.29 1cfp h ILE 11 CO -0.01 0.18 -0.69 -0.78 -0.00 0.00 0.00 178.15 176.84 1cfp h ASP 12 N 0.00 0.00 0.29 2.16 1.82 -0.60 -2.08 116.42 118.02 1cfp h ASP 12 Ca -0.00 -0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.62 1cfp h ASP 12 Cb 0.38 -0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.40 1cfp h ASP 12 CO 0.02 0.69 -0.14 0.58 -1.61 0.00 0.00 179.24 178.78 1cfp h VAL 13 N 0.00 0.00 -0.94 2.25 2.07 0.17 -2.76 116.25 117.04 1cfp h VAL 13 Ca -0.01 -0.40 0.23 0.00 0.82 0.00 0.00 66.70 67.34 1cfp h VAL 13 Cb 1.22 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.87 1cfp h VAL 13 CO 0.09 0.00 0.48 -0.26 0.02 0.00 0.00 177.57 177.90 1cfp h PHE 14 N -0.80 0.80 -0.52 1.57 0.04 -1.08 0.76 116.94 117.73 1cfp h PHE 14 Ca -0.04 0.04 0.10 0.00 2.80 0.00 0.00 57.97 60.87 1cfp h PHE 14 Cb 0.30 -0.21 -0.11 0.00 2.20 0.00 0.00 35.95 38.14 1cfp h PHE 14 CO 0.03 0.01 -0.27 1.25 -0.60 0.00 0.00 178.31 178.73 1cfp h HIS 15 N 0.48 -0.73 0.00 -0.55 2.76 -1.36 0.28 115.15 116.04 1cfp h HIS 15 Ca 0.59 0.06 0.00 0.00 -2.20 0.00 0.00 60.37 58.82 1cfp h HIS 15 Cb 1.10 0.40 0.00 0.00 1.55 0.00 0.00 27.41 30.46 1cfp h HIS 15 CO -0.08 -0.35 -0.05 0.37 -1.30 0.00 0.00 177.93 176.52 1cfp h GLN 16 N -0.15 0.00 -0.74 5.26 4.15 -0.34 -1.65 115.11 121.64 1cfp h GLN 16 Ca 0.23 0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.72 1cfp h GLN 16 Cb 0.51 0.00 -0.10 0.00 0.21 0.00 0.00 27.48 28.11 1cfp h GLN 16 CO -0.60 0.00 -0.50 1.88 -1.93 0.00 0.00 178.83 177.67 1cfp h TYR 17 N -0.62 -1.60 -0.34 3.99 -1.99 0.39 2.93 116.97 119.74 1cfp h TYR 17 Ca 0.00 0.10 0.00 0.00 2.00 0.00 0.00 58.73 60.83 1cfp h TYR 17 Cb 0.05 0.79 0.00 0.00 2.00 0.00 0.00 36.73 39.58 1cfp h TYR 17 CO -0.02 -0.34 0.00 -1.13 -0.00 0.00 0.00 178.16 176.66 1cfp n SER 18 N -4.95 2.11 -0.33 3.88 3.41 0.97 -4.30 113.62 114.42 1cfp n SER 18 Ca 0.01 -1.91 0.00 0.00 -0.26 0.00 0.00 58.87 56.70 1cfp n SER 18 Cb 0.24 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 1cfp n SER 18 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1cfp n GLY 19 N 1.17 0.60 0.07 5.00 0.00 -0.06 -2.52 105.19 109.44 1cfp n GLY 19 Ca 0.15 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.30 1cfp n GLY 19 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1cfp n ARG 20 N 0.00 1.09 0.16 1.61 1.85 0.96 -4.64 116.66 117.70 1cfp n ARG 20 Ca 0.00 -0.13 0.00 0.00 -1.00 0.00 0.00 57.85 56.72 1cfp n ARG 20 Cb 0.53 -1.43 0.00 0.00 -1.05 0.00 0.00 32.46 30.51 1cfp n ARG 20 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 1cfp n GLU 21 N -0.78 0.00 0.00 2.89 0.00 -1.26 -5.05 120.64 116.44 1cfp n GLU 21 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.36 1cfp n GLU 21 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.57 1cfp n GLU 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1cfp n GLY 22 N -1.30 5.63 7.00 8.31 0.00 -1.26 -5.11 105.19 118.46 1cfp n GLY 22 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.04 1cfp n GLY 22 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1cfp n ASP 23 N 0.00 -1.15 0.00 1.61 -0.08 -1.26 -4.16 116.55 111.51 1cfp n ASP 23 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1cfp n ASP 23 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1cfp n ASP 23 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1cfp n LYS 24 N 0.00 0.00 -2.84 -0.67 4.01 -1.05 -4.86 118.16 112.75 1cfp n LYS 24 Ca 0.00 0.00 -0.20 0.00 -0.51 0.00 0.00 58.31 57.60 1cfp n LYS 24 Cb 0.00 0.00 -0.01 0.00 -0.51 0.00 0.00 35.03 34.51 1cfp n LYS 24 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 1cfp n HIS 25 N -0.20 2.17 -4.00 2.13 8.25 -1.25 -3.94 115.22 118.39 1cfp n HIS 25 Ca 0.00 -3.47 -0.11 0.00 -0.26 0.00 0.00 57.72 53.88 1cfp n HIS 25 Cb 0.00 -0.35 -0.04 0.00 1.12 0.00 0.00 29.99 30.72 1cfp n HIS 25 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1cfp s LYS 26 N -3.12 1.75 0.26 -0.41 3.01 -1.26 -4.32 119.74 115.65 1cfp s LYS 26 Ca 0.41 -1.42 0.03 0.00 -1.01 0.00 0.00 55.97 53.97 1cfp s LYS 26 Cb 0.37 0.49 -0.04 0.00 -1.01 0.00 0.00 37.83 37.64 1cfp s LYS 26 CO -0.09 -0.75 0.20 -0.51 0.51 0.00 0.00 175.35 174.71 1cfp s LEU 27 N -3.09 1.42 0.24 3.17 1.43 0.05 -4.28 118.68 117.61 1cfp s LEU 27 Ca 0.24 -1.55 0.06 0.00 -1.03 0.00 0.00 54.13 51.85 1cfp s LEU 27 Cb -0.01 0.47 -0.05 0.00 0.03 0.00 0.00 46.19 46.63 1cfp s LEU 27 CO 0.13 -0.94 -0.08 -0.54 0.23 0.00 0.00 176.35 175.14 1cfp s LYS 28 N -3.83 1.43 0.47 1.70 1.02 -1.26 0.24 119.74 119.51 1cfp s LYS 28 Ca 0.40 -1.69 0.30 0.00 0.02 0.00 0.00 55.97 55.00 1cfp s LYS 28 Cb 0.05 -1.05 1.39 0.00 -0.52 0.00 0.00 37.83 37.70 1cfp s LYS 28 CO 0.19 0.07 1.73 0.87 -0.92 0.00 0.00 175.35 177.29 1cfp h LYS 29 N 2.42 0.15 -0.01 1.68 1.79 -1.97 0.38 116.57 121.01 1cfp h LYS 29 Ca -0.39 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.06 1cfp h LYS 29 Cb 1.23 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.84 1cfp h LYS 29 CO 0.65 0.10 -0.02 0.77 -1.08 0.00 0.00 179.45 179.87 1cfp h SER 30 N 0.15 0.03 -0.05 0.86 0.02 -1.99 -2.41 113.55 110.16 1cfp h SER 30 Ca 0.67 -0.60 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1cfp h SER 30 Cb 2.22 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 64.75 1cfp h SER 30 CO -0.20 0.62 0.00 -0.33 -1.14 0.00 0.00 176.83 175.78 1cfp h GLU 31 N -0.56 0.08 -0.38 3.45 5.08 -1.26 -2.83 114.58 118.16 1cfp h GLU 31 Ca -0.00 -0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.41 1cfp h GLU 31 Cb 0.62 -0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.77 1cfp h GLU 31 CO 0.00 0.36 -0.39 1.25 -1.00 0.00 0.00 179.01 179.23 1cfp h LEU 32 N -0.20 -1.29 -0.65 1.33 5.85 -0.45 0.18 115.31 120.07 1cfp h LEU 32 Ca 0.01 0.20 0.08 0.00 0.84 0.00 0.00 57.88 59.02 1cfp h LEU 32 Cb 0.32 0.57 -0.10 0.00 0.37 0.00 0.00 40.66 41.82 1cfp h LEU 32 CO 0.00 -0.36 -0.51 0.11 -0.34 0.00 0.00 178.44 177.34 1cfp h LYS 33 N -0.31 -0.21 -0.87 1.25 1.79 -1.35 1.30 116.57 118.16 1cfp h LYS 33 Ca 0.15 0.01 0.20 0.00 -2.18 0.00 0.00 60.65 58.83 1cfp h LYS 33 Cb 0.57 0.05 -0.12 0.00 -1.58 0.00 0.00 32.23 31.15 1cfp h LYS 33 CO -0.55 -0.14 0.38 1.49 -1.08 0.00 0.00 179.45 179.55 1cfp h GLU 34 N -0.22 0.41 -0.40 3.15 4.81 -0.83 1.00 114.58 122.51 1cfp h GLU 34 Ca 0.15 -0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.45 1cfp h GLU 34 Cb 0.54 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 1cfp h GLU 34 CO -0.74 0.27 0.28 1.25 -0.73 0.00 0.00 179.01 179.35 1cfp h LEU 35 N 0.43 0.07 0.10 1.64 6.46 0.44 1.47 115.31 125.92 1cfp h LEU 35 Ca 0.53 0.00 -0.34 0.00 -0.12 0.00 0.00 57.88 57.95 1cfp h LEU 35 Cb 0.96 -0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.86 1cfp h LEU 35 CO -0.50 0.04 -1.84 0.40 -0.62 0.00 0.00 178.44 175.92 1cfp h ILE 36 N 0.08 0.78 0.00 4.05 1.08 0.27 -3.33 117.51 120.43 1cfp h ILE 36 Ca 0.19 -2.50 -0.13 0.00 -0.39 0.00 0.00 64.86 62.02 1cfp h ILE 36 Cb 0.64 2.55 -0.02 0.00 -3.07 0.00 0.00 36.82 36.92 1cfp h ILE 36 CO -0.02 0.79 -0.63 0.78 -0.69 0.00 0.00 178.15 178.39 1cfp h ASN 37 N 0.06 0.00 0.64 1.72 -0.26 0.21 0.71 115.58 118.65 1cfp h ASN 37 Ca -0.36 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.38 1cfp h ASN 37 Cb 2.03 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 39.29 1cfp h ASN 37 CO 0.11 0.63 0.00 0.59 -1.06 0.00 0.00 177.43 177.69 1cfp n ASN 38 N -3.35 0.00 0.00 5.81 3.02 0.50 -3.60 115.26 117.64 1cfp n ASN 38 Ca 0.01 0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.81 1cfp n ASN 38 Cb 0.75 -0.40 0.00 0.00 -0.61 0.00 0.00 39.78 39.51 1cfp n ASN 38 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1cfp n GLU 39 N -1.40 0.00 -3.02 3.52 0.28 -1.14 -4.84 120.64 114.03 1cfp n GLU 39 Ca 0.08 0.00 -0.38 0.00 -0.16 0.00 0.00 57.16 56.70 1cfp n GLU 39 Cb 0.23 -0.86 -0.01 0.00 1.43 0.00 0.00 31.44 32.23 1cfp n GLU 39 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1cfp n LEU 40 N -2.46 5.91 -0.40 -1.84 4.77 0.25 -4.85 117.00 118.37 1cfp n LEU 40 Ca 0.00 -5.33 0.35 0.00 -0.03 0.00 0.00 56.01 51.00 1cfp n LEU 40 Cb 0.44 -1.08 0.62 0.00 -2.33 0.00 0.00 43.42 41.08 1cfp n LEU 40 CO 0.00 1.88 1.15 -1.28 -1.33 0.00 0.00 177.39 177.81 1cfp h SER 41 N 4.78 0.28 -0.88 -1.43 0.87 -1.77 2.17 113.55 117.56 1cfp h SER 41 Ca 0.25 0.20 0.26 0.00 -1.23 0.00 0.00 61.79 61.27 1cfp h SER 41 Cb 0.56 0.20 -0.04 0.00 -0.44 0.00 0.00 62.40 62.69 1cfp h SER 41 CO 1.17 -0.32 0.72 0.45 -0.53 0.00 0.00 176.83 178.32 1cfp h HIS 42 N 0.03 0.00 0.00 2.24 -0.00 -1.90 1.75 115.15 117.27 1cfp h HIS 42 Ca 0.85 0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 61.19 1cfp h HIS 42 Cb 2.48 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 29.89 1cfp h HIS 42 CO -0.01 0.00 -0.14 0.74 -0.00 0.00 0.00 177.93 178.53 1cfp h PHE 43 N 0.00 0.00 -0.94 2.45 -1.00 0.33 -0.94 116.94 116.84 1cfp h PHE 43 Ca 0.42 0.00 0.12 0.00 2.81 0.00 0.00 57.97 61.32 1cfp h PHE 43 Cb 1.85 0.00 -0.08 0.00 3.61 0.00 0.00 35.95 41.33 1cfp h PHE 43 CO 0.00 0.14 0.60 1.25 -1.61 0.00 0.00 178.31 178.69 1cfp h LEU 44 N 0.00 0.81 0.00 1.54 5.85 0.26 0.13 115.31 123.91 1cfp h LEU 44 Ca -0.00 0.04 -0.13 0.00 0.84 0.00 0.00 57.88 58.62 1cfp h LEU 44 Cb 0.96 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.84 1cfp h LEU 44 CO 0.02 0.44 -1.37 -0.62 -0.34 0.00 0.00 178.44 176.57 1cfp n GLU 45 N -4.58 0.62 0.00 1.25 -0.58 -1.13 -4.93 120.64 111.29 1cfp n GLU 45 Ca 0.17 0.19 0.00 0.00 -0.42 0.00 0.00 57.16 57.10 1cfp n GLU 45 Cb 0.38 -1.80 0.00 0.00 -0.57 0.00 0.00 31.44 29.45 1cfp n GLU 45 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1cfp n GLU 46 N -2.82 0.00 -0.38 3.49 2.13 0.46 -4.20 120.64 119.31 1cfp n GLU 46 Ca -0.08 0.00 0.33 0.00 0.66 0.00 0.00 57.16 58.07 1cfp n GLU 46 Cb 0.78 0.00 0.57 0.00 0.27 0.00 0.00 31.44 33.06 1cfp n GLU 46 CO 0.00 0.00 0.00 1.51 -0.41 0.00 0.00 177.13 178.23 1cfp n ILE 47 N 0.00 -0.25 -0.31 6.31 0.00 -1.26 0.11 119.36 123.96 1cfp n ILE 47 Ca 0.00 1.59 0.34 0.00 0.00 0.00 0.00 62.75 64.68 1cfp n ILE 47 Cb 0.00 -2.61 0.57 0.00 0.00 0.00 0.00 39.64 37.60 1cfp n ILE 47 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 1cfp h LYS 48 N 0.00 0.00 -1.50 9.51 1.79 -1.79 -3.22 116.57 121.36 1cfp h LYS 48 Ca 0.75 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 59.07 1cfp h LYS 48 Cb 2.34 0.00 -0.26 0.00 -1.58 0.00 0.00 32.23 32.73 1cfp h LYS 48 CO -0.46 0.00 -0.51 -1.83 -1.08 0.00 0.00 179.45 175.57 1cfp s GLU 49 N -4.57 0.53 0.03 3.15 -1.05 0.29 -5.03 118.70 112.05 1cfp s GLU 49 Ca -0.03 0.02 -0.19 0.00 -0.15 0.00 0.00 54.97 54.61 1cfp s GLU 49 Cb 0.18 -0.19 -0.19 0.00 -0.44 0.00 0.00 34.13 33.49 1cfp s GLU 49 CO 0.59 -1.08 1.21 1.96 0.95 0.00 0.00 175.26 178.88 1cfp h GLN 50 N 7.81 0.44 -0.50 -4.83 4.20 -1.71 -1.41 115.11 119.11 1cfp h GLN 50 Ca -0.03 -0.35 0.07 0.00 0.06 0.00 0.00 58.65 58.39 1cfp h GLN 50 Cb 1.13 0.07 -0.06 0.00 0.30 0.00 0.00 27.48 28.93 1cfp h GLN 50 CO 0.21 0.99 0.17 1.49 -0.67 0.00 0.00 178.83 181.02 1cfp h GLU 51 N -0.00 0.33 -0.05 1.46 4.81 -1.94 0.62 114.58 119.80 1cfp h GLU 51 Ca -0.03 -0.02 -0.18 0.00 -0.13 0.00 0.00 59.36 59.00 1cfp h GLU 51 Cb 1.07 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.36 1cfp h GLU 51 CO 0.09 0.22 -0.75 0.28 -0.73 0.00 0.00 179.01 178.11 1cfp h VAL 52 N 0.34 1.41 0.00 0.32 2.07 -1.97 -1.61 116.25 116.81 1cfp h VAL 52 Ca 0.24 -2.25 -0.05 0.00 0.82 0.00 0.00 66.70 65.46 1cfp h VAL 52 Cb 0.26 2.20 -0.01 0.00 -1.52 0.00 0.00 31.29 32.23 1cfp h VAL 52 CO -0.25 0.67 -0.22 0.58 0.02 0.00 0.00 177.57 178.37 1cfp h VAL 53 N 0.20 1.08 -0.15 2.57 2.07 -0.25 1.31 116.25 123.09 1cfp h VAL 53 Ca -0.03 -0.77 -0.09 0.00 0.82 0.00 0.00 66.70 66.63 1cfp h VAL 53 Cb 1.33 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 32.52 1cfp h VAL 53 CO 0.12 0.21 -0.27 -0.78 0.02 0.00 0.00 177.57 176.88 1cfp h ASP 54 N 0.00 0.50 1.10 0.57 3.58 0.66 -1.25 116.42 121.58 1cfp h ASP 54 Ca -0.00 -0.54 -0.04 0.00 0.42 0.00 0.00 57.03 56.86 1cfp h ASP 54 Cb 0.40 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.31 1cfp h ASP 54 CO 0.03 0.94 -0.20 0.11 -2.88 0.00 0.00 179.24 177.24 1cfp h LYS 55 N 0.07 0.00 0.15 0.28 6.56 -0.33 -2.68 116.57 120.62 1cfp h LYS 55 Ca 0.01 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.59 1cfp h LYS 55 Cb 0.85 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.51 1cfp h LYS 55 CO 0.06 0.20 -0.07 0.28 -2.06 0.00 0.00 179.45 177.86 1cfp h VAL 56 N 0.00 0.93 -0.93 0.50 2.07 0.19 -2.45 116.25 116.56 1cfp h VAL 56 Ca -0.00 -1.13 0.01 0.00 0.82 0.00 0.00 66.70 66.40 1cfp h VAL 56 Cb 0.81 1.54 -0.05 0.00 -1.52 0.00 0.00 31.29 32.07 1cfp h VAL 56 CO 0.03 0.23 0.61 0.24 0.02 0.00 0.00 177.57 178.70 1cfp h MET 57 N -0.81 1.20 0.82 1.57 2.86 -1.25 -1.36 114.93 117.96 1cfp h MET 57 Ca -0.02 -0.07 -0.04 0.00 -2.06 0.00 0.00 59.70 57.51 1cfp h MET 57 Cb 0.54 -0.27 0.00 0.00 0.06 0.00 0.00 31.60 31.93 1cfp h MET 57 CO 0.03 0.80 -0.43 1.49 1.06 0.00 0.00 176.91 179.85 1cfp h GLU 58 N 1.24 -1.11 -0.52 1.72 4.57 -1.51 0.11 114.58 119.07 1cfp h GLU 58 Ca 0.35 0.08 0.10 0.00 -1.18 0.00 0.00 59.36 58.70 1cfp h GLU 58 Cb -0.11 0.25 -0.08 0.00 -0.16 0.00 0.00 28.75 28.65 1cfp h GLU 58 CO -0.08 -0.74 0.05 1.15 -1.18 0.00 0.00 179.01 178.21 1cfp h THR 59 N -1.16 0.64 -0.71 0.32 2.02 -1.30 -0.08 112.91 112.65 1cfp h THR 59 Ca -0.11 -0.06 0.02 0.00 0.77 0.00 0.00 66.41 67.03 1cfp h THR 59 Cb 0.90 0.45 -0.04 0.00 -1.74 0.00 0.00 68.15 67.72 1cfp h THR 59 CO 0.16 0.03 0.47 0.25 0.37 0.00 0.00 175.52 176.80 1cfp h LEU 60 N 0.18 0.76 -0.78 2.58 6.46 -1.09 1.99 115.31 125.41 1cfp h LEU 60 Ca 0.27 -0.01 0.02 0.00 -0.12 0.00 0.00 57.88 58.03 1cfp h LEU 60 Cb 0.39 -0.18 -0.04 0.00 -0.73 0.00 0.00 40.66 40.10 1cfp h LEU 60 CO -0.39 0.54 0.51 -0.78 -0.62 0.00 0.00 178.44 177.69 1cfp h ASP 61 N 0.89 0.87 0.00 1.25 3.58 0.11 -3.31 116.42 119.81 1cfp h ASP 61 Ca 0.27 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.71 1cfp h ASP 61 Cb -0.00 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 40.84 1cfp h ASP 61 CO -0.07 0.62 -0.51 -1.54 -2.88 0.00 0.00 179.24 174.85 1cfp n SER 62 N -4.56 1.70 0.00 2.28 3.41 -0.70 -4.54 113.62 111.20 1cfp n SER 62 Ca 0.08 0.59 0.00 0.00 -0.26 0.00 0.00 58.87 59.28 1cfp n SER 62 Cb 0.04 -0.84 0.00 0.00 -0.26 0.00 0.00 64.21 63.15 1cfp n SER 62 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1cfp n ASP 63 N -4.46 0.00 -0.45 4.04 2.03 0.67 0.25 116.55 118.62 1cfp n ASP 63 Ca -0.07 0.00 0.13 0.00 0.52 0.00 0.00 54.79 55.37 1cfp n ASP 63 Cb 0.27 0.00 0.52 0.00 -0.72 0.00 0.00 41.12 41.19 1cfp n ASP 63 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1cfp n GLY 64 N 0.00 -0.03 3.79 0.27 0.00 -1.26 -4.96 105.19 103.01 1cfp n GLY 64 Ca 0.00 -0.42 -0.25 0.00 0.00 0.00 0.00 46.02 45.36 1cfp n GLY 64 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1cfp n ASP 65 N 0.10 -4.85 0.00 1.61 2.03 0.68 -3.46 116.55 112.67 1cfp n ASP 65 Ca 0.19 -0.97 0.00 0.00 0.52 0.00 0.00 54.79 54.53 1cfp n ASP 65 Cb 0.33 -1.67 0.00 0.00 -0.72 0.00 0.00 41.12 39.06 1cfp n ASP 65 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1cfp n GLY 66 N -1.65 3.76 3.25 0.27 0.00 -1.26 -5.06 105.19 104.49 1cfp n GLY 66 Ca -0.32 -0.87 -0.12 0.00 0.00 0.00 0.00 46.02 44.71 1cfp n GLY 66 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1cfp s GLU 67 N 0.00 0.40 -0.80 1.61 2.56 -1.22 -4.69 118.70 116.54 1cfp s GLU 67 Ca 0.00 0.64 -0.16 0.00 0.00 0.00 0.00 54.97 55.45 1cfp s GLU 67 Cb 0.00 0.07 0.18 0.00 2.00 0.00 0.00 34.13 36.38 1cfp s GLU 67 CO 0.00 -0.11 0.83 0.00 -0.56 0.00 0.00 175.26 175.42 1cfp s ASP 69 N 2.83 3.99 0.00 0.00 1.11 -1.26 -0.77 116.67 122.56 1cfp s ASP 69 Ca 0.20 -0.24 0.00 0.00 0.18 0.00 0.00 52.55 52.69 1cfp s ASP 69 Cb -0.12 -0.02 0.00 0.00 1.07 0.00 0.00 42.92 43.85 1cfp s ASP 69 CO -0.06 -2.12 0.02 0.49 1.18 0.00 0.00 175.17 174.68 1cfp n PHE 70 N -3.09 0.00 0.16 4.23 3.72 -1.26 0.30 117.46 121.52 1cfp n PHE 70 Ca 0.16 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.64 1cfp n PHE 70 Cb 0.60 0.00 0.46 0.00 -0.94 0.00 0.00 39.48 39.60 1cfp n PHE 70 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1cfp n GLN 71 N -0.21 0.11 -0.06 -1.08 10.64 -1.26 -1.75 117.38 123.78 1cfp n GLN 71 Ca 0.00 0.60 -0.14 0.00 -1.83 0.00 0.00 57.00 55.63 1cfp n GLN 71 Cb 0.00 -2.02 -0.12 0.00 -0.86 0.00 0.00 30.24 27.24 1cfp n GLN 71 CO 0.00 0.00 0.00 0.93 -1.83 0.00 0.00 177.06 176.16 1cfp h GLU 72 N 0.00 -0.00 -0.20 2.61 5.08 0.42 0.11 114.58 122.60 1cfp h GLU 72 Ca 0.00 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.40 1cfp h GLU 72 Cb 0.31 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 1cfp h GLU 72 CO 0.00 0.91 -0.02 0.35 -1.00 0.00 0.00 179.01 179.25 1cfp h PHE 73 N -0.93 -0.05 0.00 4.33 3.57 -0.09 0.14 116.94 123.92 1cfp h PHE 73 Ca -0.00 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 1cfp h PHE 73 Cb 0.91 0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.70 1cfp h PHE 73 CO 0.25 -0.05 -0.14 0.52 -2.23 0.00 0.00 178.31 176.66 1cfp h MET 74 N 0.04 0.00 0.08 1.11 2.86 -1.59 -0.63 114.93 116.79 1cfp h MET 74 Ca 0.10 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1cfp h MET 74 Cb 0.13 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.79 1cfp h MET 74 CO -0.18 0.14 -0.04 0.00 1.06 0.00 0.00 176.91 177.88 1cfp h ALA 75 N 1.86 -0.69 -0.06 6.32 0.00 0.20 -1.93 119.26 124.96 1cfp h ALA 75 Ca -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1cfp h ALA 75 Cb 0.32 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1cfp h ALA 75 CO 0.02 -0.68 0.01 0.35 0.00 0.00 0.00 179.25 178.94 1cfp h PHE 76 N -0.15 0.10 -1.05 0.00 3.04 -1.35 0.46 116.94 117.99 1cfp h PHE 76 Ca -0.01 -0.02 0.28 0.00 3.98 0.00 0.00 57.97 62.20 1cfp h PHE 76 Cb 0.09 -0.03 -0.11 0.00 2.56 0.00 0.00 35.95 38.45 1cfp h PHE 76 CO 0.13 0.34 0.65 -0.24 -2.02 0.00 0.00 178.31 177.17 1cfp h VAL 77 N -0.16 0.47 -0.19 1.41 3.04 -1.25 0.89 116.25 120.46 1cfp h VAL 77 Ca 0.02 -0.15 -0.10 0.00 -1.01 0.00 0.00 66.70 65.47 1cfp h VAL 77 Cb 0.29 0.01 -0.00 0.00 -2.01 0.00 0.00 31.29 29.58 1cfp h VAL 77 CO 0.00 0.08 -0.26 0.00 -1.01 0.00 0.00 177.57 176.38 1cfp h ALA 78 N 1.68 0.29 -0.94 3.17 0.00 -0.72 0.81 119.26 123.55 1cfp h ALA 78 Ca 0.65 -0.38 0.17 0.00 0.00 0.00 0.00 54.91 55.34 1cfp h ALA 78 Cb 1.52 -0.06 -0.10 0.00 0.00 0.00 0.00 17.79 19.15 1cfp h ALA 78 CO -0.40 0.27 0.54 0.52 0.00 0.00 0.00 179.25 180.18 1cfp h MET 79 N 0.18 0.69 0.07 0.00 2.07 0.29 -1.34 114.93 116.89 1cfp h MET 79 Ca 0.02 -0.04 -0.10 0.00 -2.07 0.00 0.00 59.70 57.51 1cfp h MET 79 Cb 0.82 -0.15 0.01 0.00 -1.87 0.00 0.00 31.60 30.41 1cfp h MET 79 CO 0.06 0.45 -0.45 0.82 1.07 0.00 0.00 176.91 178.86 1cfp h ILE 80 N 0.71 1.62 -1.54 -1.22 1.08 -0.60 -3.29 117.51 114.28 1cfp h ILE 80 Ca 0.53 -2.41 0.47 0.00 -0.39 0.00 0.00 64.86 63.06 1cfp h ILE 80 Cb 0.80 3.23 -0.08 0.00 -3.07 0.00 0.00 36.82 37.69 1cfp h ILE 80 CO -0.38 0.66 1.08 0.41 -0.69 0.00 0.00 178.15 179.23 1cfp n THR 81 N -4.34 -0.07 0.68 -0.27 -1.04 0.28 0.41 114.28 109.93 1cfp n THR 81 Ca -0.12 1.36 0.08 0.00 -2.04 0.00 0.00 64.05 63.33 1cfp n THR 81 Cb 0.66 -2.25 0.39 0.00 -1.82 0.00 0.00 70.33 67.32 1cfp n THR 81 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1cfp n THR 82 N -3.87 0.69 -0.02 12.58 -2.24 -0.97 -2.60 114.28 117.84 1cfp n THR 82 Ca 0.37 0.17 -0.03 0.00 -2.27 0.00 0.00 64.05 62.29 1cfp n THR 82 Cb 1.61 -0.89 -0.13 0.00 -2.10 0.00 0.00 70.33 68.82 1cfp n THR 82 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cfp n ALA 83 N -1.40 1.84 -0.48 6.98 0.00 1.34 0.83 120.51 129.63 1cfp n ALA 83 Ca 0.06 -0.82 0.00 0.00 0.00 0.00 0.00 53.44 52.67 1cfp n ALA 83 Cb 0.17 -0.67 0.00 0.00 0.00 0.00 0.00 19.45 18.94 1cfp n ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cfp n HIS 85 N 0.00 -0.10 0.00 0.00 -0.00 0.23 -4.79 115.22 110.56 1cfp n HIS 85 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1cfp n HIS 85 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 1cfp n HIS 85 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1cfp n GLU 86 N 0.00 0.00 0.00 1.57 1.02 -1.26 -0.97 120.64 121.00 1cfp n GLU 86 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1cfp n GLU 86 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1cfp n GLU 86 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1cfp n PHE 87 N 0.00 0.00 -1.62 -0.32 -0.00 -1.26 -4.68 117.46 109.58 1cfp n PHE 87 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.45 57.02 1cfp n PHE 87 Cb 0.00 -0.35 -0.03 0.00 -0.00 0.00 0.00 39.48 39.10 1cfp n PHE 87 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.76 177.95 1cfp n PHE 88 N -1.55 2.15 0.08 -5.13 3.72 -0.15 -4.57 117.46 112.01 1cfp n PHE 88 Ca 0.00 -0.21 0.00 0.00 -0.05 0.00 0.00 57.45 57.19 1cfp n PHE 88 Cb 0.00 -2.75 0.00 0.00 -0.94 0.00 0.00 39.48 35.79 1cfp n PHE 88 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1cfp n GLU 89 N 8.34 0.00 0.00 -1.08 2.13 0.24 0.77 120.64 131.05 1cfp n GLU 89 Ca 0.27 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.09 1cfp n GLU 89 Cb 0.43 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.14 1cfp n GLU 89 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 1cfp n HIS 90 N -2.89 0.00 -0.90 4.31 -0.00 -1.25 -4.61 115.22 109.87 1cfp n HIS 90 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1cfp n HIS 90 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 1cfp n HIS 90 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89